4-[(2,4-dichlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(2,4-dichlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(2,4-dichlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(2,4-dichlorophenyl)methylthio]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(2,4-dichlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(2,4-dichlorobenzyl)thio]proline Formula: C12H13Cl2NO2S MolecularWeight: 306.20812

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)O)SCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1C(CNC1C(=O)O)SCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO2S/c13-8-2-1-7(10(14)3-8)6-18-9-4-11(12(16)17)15-5-9/h1-3,9,11,15H,4-6H2,(H,16,17)